methyl 1-[(4-cyano-2-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[(4-cyano-2-fluoranyl-phenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[(4-cyano-2-fluoro-phenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(4-cyano-2-fluorophenyl)methyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-cyano-2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-(4-cyano-2-fluoro-benzyl)-6-keto-nicotinic acid methyl ester Formula: C15H11FN2O3 MolecularWeight: 286.257843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C=C1)CC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

COC(=O)C1=CN(C(=O)C=C1)CC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C15H11FN2O3/c1-21-15(20)12-4-5-14(19)18(9-12)8-11-3-2-10(7-17)6-13(11)16/h2-6,9H,8H2,1H3